N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H20N2O — CID 102874151

IUPACN-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCCN(C(=O)C1Cc2ccccc21)C1CCC1
InChIInChI=1S/C15H20N2O/c16-8-9-17(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)14/h1-2,4,7,12,14H,3,5-6,8-10,16H2
InChIKeyYYXDTCJNYYBSTE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.67
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 102874151) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID102874151
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCCN(C(=O)C1Cc2ccccc21)C1CCC1
InChIInChI=1S/C15H20N2O/c16-8-9-17(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)14/h1-2,4,7,12,14H,3,5-6,8-10,16H2
InChIKeyYYXDTCJNYYBSTE-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 102874151) is N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is NCCN(C(=O)C1Cc2ccccc21)C1CCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is YYXDTCJNYYBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-8-9-17(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)14/h1-2,4,7,12,14H,3,5-6,8-10,16H2.
What are the key properties of N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 102874151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).